SCHEMBL31725330

SCHEMBL31725330

Nc1nc([N+](=O)[O-])nc2c1ncn2[C@@H]1O[C@](F)(CO)[C@@H](F)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 9/20 0.62
▸ ADORA2A P29274 5/20 0.45
▸ ADORA1 P30542 3/20 0.45
▸ ADORA2B P29275 3/20 0.45
▸ PDE2A O00408 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ NT5E P21589 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ RAB9A P51151 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31725323 0.85 AHCY (0.49) ADORA3ADORA2AADORA1ADORA2BPDE2A
SCHEMBL31725350 0.84 NT5E (0.60) ADORA3ADORA2AADORA1ADORA2BPDE2A
SCHEMBL31725291 0.80 ADORA2A (0.61) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL25388043 0.79 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL25390968 0.79 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL26239618 0.79 ADORA3 (0.57) ADORA3ADORA2AADORA1ADORA2BSMN1; SMN2
SCHEMBL3749420 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA2BNT5ELMNA
SCHEMBL3749410 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA2BNT5ELMNA
SCHEMBL13863566 0.77 ADORA3 (1.00) ADORA3ADORA2AADORA2BNT5ELMNA
SCHEMBL31228269 0.75 NT5E (0.62) ADORA3ADORA2AADORA1ADORA2BPDE2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235664-A1 PURINE NUCLEOTIDE AND NUCLEOSIDE THERAPEUTIC COMPOSITIONS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2025-11-13 — — WO disclosed
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